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MCULE-2377404851-0
Structure
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- InChIKey:
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- InChI:
- Formula:
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2
MCULE-8102374631-2
- Component type: Main
-
3
MCULE-1504889908-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2377404851-0.sdf |
| SMILES | MCULE-2377404851-0.smiles |
| Standard InChI | MCULE-2377404851-0.inchi |
| InChIKey | MCULE-2377404851-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885559199 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611439717 | Toronto Research | In stock | 90 | As is | in stock |
| P-608276043 | Molnova | Stock | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 5 |
| Mass | 1457.392 |
| logP | -8.654 |
| H-bond acceptors | 50 |
| H-bond donors | 30 |
| Rotatable bonds | 18 |
| PSA | 921.8 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 303.5266 |
| Atoms | 179 |
| Rings | 6 |
| Heavy atoms | 95 |
| Hydrogen atoms | 84 |
| Heteroatoms | 53 |
| N/O atoms | 50 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 15 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 15 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
